2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide

C15H28N4O3S — CID 128977886

IUPAC2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C15H28N4O3S/c1-17-7-5-6-13(15(17)14-10-16-12-18(14)2)11-19(3)23(20,21)9-8-22-4/h10,12-13,15H,5-9,11H2,1-4H3/t13-,15+/m0/s1
InChIKeyGGAJZMKRLLWHEZ-DZGCQCFKSA-N
MW344.48 g/mol
LogP0.71
Rot. Bonds7

About 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide

2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide (PubChem CID 128977886) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
PubChem CID128977886
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C
InChIInChI=1S/C15H28N4O3S/c1-17-7-5-6-13(15(17)14-10-16-12-18(14)2)11-19(3)23(20,21)9-8-22-4/h10,12-13,15H,5-9,11H2,1-4H3/t13-,15+/m0/s1
InChIKeyGGAJZMKRLLWHEZ-DZGCQCFKSA-N
XLogP0.71
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide (CID 128977886) is 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide is COCCS(=O)(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C.
What is the InChIKey of 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide?
The InChIKey is GGAJZMKRLLWHEZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-17-7-5-6-13(15(17)14-10-16-12-18(14)2)11-19(3)23(20,21)9-8-22-4/h10,12-13,15H,5-9,11H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide?
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 128977886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).